Chemical Properties of Glutaric acid, hexadecyl non-5-yn-3-yl ester

InChI

InChI=1S/C30H54O4/c1-4-7-9-11-12-13-14-15-16-17-18-19-20-22-27-33-29(31)25-23-26-30(32)34-28(6-3)24-21-10-8-5-2/h28H,4-9,11-20,22-27H2,1-3H3

InChI Key

KSNHDEYPHDZEPD-UHFFFAOYSA-N

Formula

C30H54O4

SMILES

CCCC#CCC(CC)OC(=O)CCCC(=O)OCCCCCCCCCCCCCCCC

Molecular Weight¹

478.75

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-65.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-885.11	kJ/mol	Joback Calculated Property
ΔfusH°	78.63	kJ/mol	Joback Calculated Property
ΔvapH°	102.45	kJ/mol	Joback Calculated Property
log10WS	-10.01		Crippen Calculated Property
logPoct/wat	8.697		Crippen Calculated Property
McVol	439.840	ml/mol	McGowan Calculated Property
Pc	678.88	kPa	Joback Calculated Property
Inp	[3338.00; 3338.00]
Inp	3338.00		NIST
Inp	3338.00		NIST
Tboil	1046.94	K	Joback Calculated Property
Tc	1299.49	K	Joback Calculated Property
Tfus	663.28	K	Joback Calculated Property
Vc	1.720	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1548.11; 1645.68]	J/mol×K	[1046.94; 1299.49]
Cp,gas	1548.11	J/mol×K	1046.94	Joback Calculated Property
Cp,gas	1569.55	J/mol×K	1089.03	Joback Calculated Property
Cp,gas	1588.80	J/mol×K	1131.12	Joback Calculated Property
Cp,gas	1605.95	J/mol×K	1173.21	Joback Calculated Property
Cp,gas	1621.09	J/mol×K	1215.31	Joback Calculated Property
Cp,gas	1634.30	J/mol×K	1257.40	Joback Calculated Property
Cp,gas	1645.68	J/mol×K	1299.49	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, hexadecyl non-5-yn-3-yl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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